amino(1H-imidazol-5-yl)carbamic acid

C4H6N4O2 — CID 174744446

IUPACamino(1H-imidazol-5-yl)carbamic acid
SMILESNN(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C4H6N4O2/c5-8(4(9)10)3-1-6-2-7-3/h1-2H,5H2,(H,6,7)(H,9,10)
InChIKeyPYHVIISXTSSLAE-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.23
Rot. Bonds1

About amino(1H-imidazol-5-yl)carbamic acid

amino(1H-imidazol-5-yl)carbamic acid (PubChem CID 174744446) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is amino(1H-imidazol-5-yl)carbamic acid.

Molecular Properties

Compound Nameamino(1H-imidazol-5-yl)carbamic acid
PubChem CID174744446
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Nameamino(1H-imidazol-5-yl)carbamic acid
SMILESNN(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C4H6N4O2/c5-8(4(9)10)3-1-6-2-7-3/h1-2H,5H2,(H,6,7)(H,9,10)
InChIKeyPYHVIISXTSSLAE-UHFFFAOYSA-N
XLogP-0.23
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(1H-imidazol-5-yl)carbamic acid?
The IUPAC name of amino(1H-imidazol-5-yl)carbamic acid (CID 174744446) is amino(1H-imidazol-5-yl)carbamic acid.
What is the SMILES notation for amino(1H-imidazol-5-yl)carbamic acid?
The canonical SMILES for amino(1H-imidazol-5-yl)carbamic acid is NN(C(=O)O)c1cnc[nH]1.
What is the InChIKey of amino(1H-imidazol-5-yl)carbamic acid?
The InChIKey is PYHVIISXTSSLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-8(4(9)10)3-1-6-2-7-3/h1-2H,5H2,(H,6,7)(H,9,10).
What are the key properties of amino(1H-imidazol-5-yl)carbamic acid?
amino(1H-imidazol-5-yl)carbamic acid has a molecular weight of 142.12 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(1H-imidazol-5-yl)carbamic acid is sourced from PubChem (CID 174744446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).